C172H108N12O4 — CID 160749645
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine (PubChem CID 160749645) has the molecular formula C172H108N12O4 and a molecular weight of 2406.84 g/mol. Its IUPAC name is 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine |
|---|---|
| PubChem CID | 160749645 |
| Molecular Formula | C172H108N12O4 |
| Molecular Weight | 2406.84 g/mol |
| Exact Mass | 2404.86 |
| IUPAC Name | 2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6O5)c5ccccc5-c5ccccc54)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3Oc3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1 |
| InChI | InChI=1S/2C46H29N3O.2C40H25N3O/c1-3-14-30(15-4-1)31-26-28-33(29-27-31)44-47-43(32-16-5-2-6-17-32)48-45(49-44)36-20-13-24-40-42(36)50-41-25-12-11-23-39(41)46(40)37-21-9-7-18-34(37)35-19-8-10-22-38(35)46;1-3-13-30(14-4-1)31-23-25-33(26-24-31)44-47-43(32-15-5-2-6-16-32)48-45(49-44)34-27-28-42-40(29-34)46(39-21-11-12-22-41(39)50-42)37-19-9-7-17-35(37)36-18-8-10-20-38(36)46;1-3-14-26(15-4-1)37-41-38(27-16-5-2-6-17-27)43-39(42-37)30-20-13-24-34-36(30)44-35-25-12-11-23-33(35)40(34)31-21-9-7-18-28(31)29-19-8-10-22-32(29)40;1-3-13-26(14-4-1)37-41-38(27-15-5-2-6-16-27)43-39(42-37)28-23-24-36-34(25-28)40(33-21-11-12-22-35(33)44-36)31-19-9-7-17-29(31)30-18-8-10-20-32(30)40/h2*1-29H;2*1-25H |
| InChIKey | RWQLTAQYFGOIKO-UHFFFAOYSA-N |
| XLogP | 40.70 |
| TPSA | 191.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 188 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2406.84 |
| LogP ≤ 5 | 40.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |